Geometry & MOs

Info

ID:	142505
PubChem CID:	53045965
Reduced:	FON7H18C24 (1)
Stoich.:	ABC7D18E24 (1)
Weight, g/mol:	490.124566
ΔH_f, kcal/mol:	79.9
Dipole, Da:	2.71
IP(EA), eV:	-9.13(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C5=CN=CC=C5

DOS

IR

Vibrations